SCHEMBL1047095

SCHEMBL1047095

N#CCN1CCC(n2cc(Nc3nc(-c4cncnc4)cc4cc[nH]c(=O)c34)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 17/20 0.55
JAK1 P23458 2/20 0.43
PIK3CD O00329 1/20 0.37
NTRK1 P04629 1/20 0.37
FLT3 P36888 1/20 0.37
IRAK1 P51617 1/20 0.37
BTK Q06187 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
JAK2 O60674 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12929910 0.89 ZAP70 (0.59) ZAP70PIK3CDNTRK1FLT3IRAK1
SCHEMBL1048950 0.88 ZAP70 (0.57) ZAP70JAK1JAK2
SCHEMBL1043452 0.87 ZAP70 (0.57) ZAP70PIK3CDNTRK1FLT3IRAK1
SCHEMBL1050428 0.86 ZAP70 (0.56) ZAP70PIK3CDNTRK1FLT3IRAK1
SCHEMBL1047039 0.86 ZAP70 (0.59) ZAP70
SCHEMBL27826600 0.81 ZAP70 (0.78) ZAP70JAK1JAK2
SCHEMBL1048671 0.78 ZAP70 (0.66) ZAP70
SCHEMBL1048193 0.78 ZAP70 (0.60) ZAP70
SCHEMBL1049316 0.77 ZAP70 (0.56) ZAP70BTKJAK2
SCHEMBL1049667 0.76 ZAP70 (0.69) ZAP70JAK1JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET ZAP70 4/4885JAK1 90/4885PIK3CD 107/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.